(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

C53H40N2O — CID 170780080

IUPAC(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)[C@]2(CCc4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc42)CC3)cc1
InChIInChI=1S/C53H40N2O/c1-4-14-37(15-5-1)45-20-10-12-22-50(45)55(41-18-8-3-9-19-41)43-27-25-39-31-33-53(49(39)35-43)32-30-38-24-26-42(34-48(38)53)54(40-16-6-2-7-17-40)44-28-29-47-46-21-11-13-23-51(46)56-52(47)36-44/h1-29,34-36H,30-33H2/t53-/m1/s1
InChIKeyBDFOBNOULCUZQW-IONAWPRUSA-N
MW720.92 g/mol
LogP14.37
Rot. Bonds7

About (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (PubChem CID 170780080) has the molecular formula C53H40N2O and a molecular weight of 720.92 g/mol. Its IUPAC name is (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.

Molecular Properties

Compound Name(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
PubChem CID170780080
Molecular FormulaC53H40N2O
Molecular Weight720.92 g/mol
Exact Mass720.31
IUPAC Name(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)[C@]2(CCc4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc42)CC3)cc1
InChIInChI=1S/C53H40N2O/c1-4-14-37(15-5-1)45-20-10-12-22-50(45)55(41-18-8-3-9-19-41)43-27-25-39-31-33-53(49(39)35-43)32-30-38-24-26-42(34-48(38)53)54(40-16-6-2-7-17-40)44-28-29-47-46-21-11-13-23-51(46)56-52(47)36-44/h1-29,34-36H,30-33H2/t53-/m1/s1
InChIKeyBDFOBNOULCUZQW-IONAWPRUSA-N
XLogP14.37
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-N'-dibenzofuran-2-yl-5-N,5-N-diphenyl-5-N'-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780118
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
6-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661077
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661071
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362

Frequently Asked Questions

What is the IUPAC name of (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The IUPAC name of (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (CID 170780080) is (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.
What is the SMILES notation for (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The canonical SMILES for (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)[C@]2(CCc4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc42)CC3)cc1.
What is the InChIKey of (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The InChIKey is BDFOBNOULCUZQW-IONAWPRUSA-N. The full InChI is InChI=1S/C53H40N2O/c1-4-14-37(15-5-1)45-20-10-12-22-50(45)55(41-18-8-3-9-19-41)43-27-25-39-31-33-53(49(39)35-43)32-30-38-24-26-42(34-48(38)53)54(40-16-6-2-7-17-40)44-28-29-47-46-21-11-13-23-51(46)56-52(47)36-44/h1-29,34-36H,30-33H2/t53-/m1/s1.
What are the key properties of (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine has a molecular weight of 720.92 g/mol, XLogP of 14.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is sourced from PubChem (CID 170780080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).